Compound Detail
CHEMBL5280243
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Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCNC(=O)CCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5280243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRMNSTSNSCJHGZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
914.0
MW (Da)
3.07
ALogP
14
HBA
5
HBD
233.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | EC50 | 6.7 | 6.26 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of EZH2 (unknown origin) | 36306471 |
| Histone-lysine N-methyltransferase EZH2 | EC50 | = | 200.0 | nM | 6.7 | Induction of degradation of EZH2 in human EOL1 cells | 36306471 |
| Histone-lysine N-methyltransferase EZH2 | EC50 | = | 1500.0 | nM | 5.82 | Induction of degradation of EZH2 in human MV4-11 cells | 36306471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36306471 | 10.1021/acs.jmedchem.2c01159 | Histone-lysine N-methyltransferase EZH2 | 5 |
Data from ChEMBL 36 via Core Engine